3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-indol-2-yl]propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-indol-2-yl]propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-indol-2-yl]propionic acid Formula: C27H34ClNO2S MolecularWeight: 472.08236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC(C)(C)C

InChI

InChI=1S/C27H34ClNO2S/c1-16(2)24-17(3)14-22-25(18(24)4)26(32-27(5,6)7)21(12-13-23(30)31)29(22)15-19-8-10-20(28)11-9-19/h8-11,14,16H,12-13,15H2,1-7H3,(H,30,31)